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DH03

CAT: 0804-HY-32717-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-32717-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DH03 (6-Amino-4-[ (3-chloro-4-fluorophenyl) amino]-7-ethoxyquinoline-3-carbonitrile) is a SARS-CoV-2 MPro ligand. DH03 can be used as a Ligand for Target Protein for PROTAC synthesis, such as PROTAC SARS-CoV-2 Degrader-1.
CAS Number
361162-95-0
Product Name Alternative
6-Amino-4-[ (3-chloro-4-fluorophenyl) amino]-7-ethoxyquinoline-3-carbonitrile
UNSPSC
12352005
Hazard Statement
H315-H319-H320
Target
Ligands for Target Protein for PROTAC
Related Pathways
PROTAC
Applications
COVID-19-anti-virus
Field of Research
Infection
Smiles
N#CC1=C(NC2=CC(Cl)=C(F)C=C2)C(C(N=C1)=C3)=CC(N)=C3OCC
Molecular Formula
C18H14ClFN4O
Molecular Weight
356.78
Precautions
P264-P280-P302+P352-P305+P351+P338-P362
References & Citations
[1]Veeck C, et al. Discovery of an Antiviral PROTAC Targeting the SARS-CoV-2 Main Protease Using an Allosteric Warhead[J]. bioRxiv, 2025: 2025.05. 03.652023.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

6-Amino-4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethyloxyquinoline
CAS Number361162-95-0
PubChem CID11035685
IUPAC Name6-amino-4-(3-chloro-4-fluoroanilino)-7-ethoxyquinoline-3-carbonitrile
Molecular FormulaC18H14ClFN4O
Molecular Weight356.8
XLogP4.4
Topological Polar Surface Area84
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity501
SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)N
InChI
InChI=1S/C18H14ClFN4O/c1-2-25-17-7-16-12(6-15(17)22)18(10(8-21)9-23-16)24-11-3-4-14(20)13(19)5-11/h3-7,9H,2,22H2,1H3,(H,23,24)
InChIKey
AIQFOGOHLOICRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Amino-4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethyloxyquinoline
CAS: 361162-95-0
CID: 11035685
Formula: C18H14ClFN4O
MW: 356.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.8
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass356.0840169
Monoisotopic Mass356.0840169
Topological Polar Surface Area84 Ų
Heavy Atom Count25
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T211313-01DH03

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